# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2004--Zhou-X-W-Johnson-R-A-Wadley-H-N-G--Cu-Ag-Au-Ni-Pd-Pt-Al-Pb-Fe-Mo-Ta-W-Mg-Co-Ti-Zr # implementation = 2004--Zhou-X-W--Cu-Ag-Au-Ni-Pd-Pt-Al-Pb-Fe-Mo-Ta-W-Mg-Co-Ti-Zr--LAMMPS--ipr1 # composition = AlZr3 # NOTE: These values are for static, unrelaxed structures and use the ideal # b/a and c/a ratios for the crystal structure, not the potential-specific # values. # Calculations from the NIST Interatomic Potential Repository Project: # http://www.ctcms.nist.gov/potentials/ # Table generated 2024-04-11 r A15--Cr3Si D0_3--BiF3 L1_2--AuCu3 0.50 nan nan nan 0.52 nan nan nan 0.54 nan nan nan 0.56 nan nan nan 0.58 nan nan nan 0.60 nan nan nan 0.62 nan nan nan 0.64 nan nan nan 0.66 nan nan nan 0.68 nan nan nan 0.70 nan nan nan 0.72 nan nan nan 0.74 nan nan nan 0.76 nan nan nan 0.78 nan nan nan 0.80 nan nan nan 0.82 nan nan nan 0.84 nan nan nan 0.86 nan nan nan 0.88 nan nan nan 0.90 nan nan nan 0.92 nan nan nan 0.94 nan nan nan 0.96 nan nan nan 0.98 nan nan nan 1.00 nan nan nan 1.02 nan nan nan 1.04 nan nan nan 1.06 nan nan nan 1.08 nan nan nan 1.10 nan nan nan 1.12 nan nan nan 1.14 3.551024284e+02 nan nan 1.16 3.290056526e+02 nan nan 1.18 3.049308686e+02 nan nan 1.20 2.827051322e+02 nan nan 1.22 2.621709340e+02 nan nan 1.24 2.431848504e+02 nan nan 1.26 2.256173962e+02 nan nan 1.28 2.093515726e+02 3.120033233e+02 3.541081106e+02 1.30 1.942809085e+02 2.910027648e+02 3.307639836e+02 1.32 1.803085823e+02 2.714735725e+02 3.090379329e+02 1.34 1.673469524e+02 2.533019822e+02 2.888079837e+02 1.36 1.553165227e+02 2.363846347e+02 2.699615113e+02 1.38 1.441443507e+02 2.206282767e+02 2.523934182e+02 1.40 1.337634836e+02 2.059483031e+02 2.360057738e+02 1.42 1.241132365e+02 1.922661969e+02 2.207086764e+02 1.44 1.151391564e+02 1.795073936e+02 2.064209283e+02 1.46 1.067919821e+02 1.676010248e+02 1.930696161e+02 1.48 9.902637828e+01 1.564813788e+02 1.805887073e+02 1.50 9.179996537e+01 1.460894126e+02 1.689176786e+02 1.52 8.507278601e+01 1.363729847e+02 1.580004975e+02 1.54 7.880750966e+01 1.272857243e+02 1.477848947e+02 1.56 7.296979118e+01 1.187856053e+02 1.382222212e+02 1.58 6.752834319e+01 1.108339950e+02 1.292674681e+02 1.60 6.245457586e+01 1.033950501e+02 1.208790821e+02 1.62 5.772212906e+01 9.643510148e+01 1.130185521e+02 1.64 5.330676059e+01 8.992214131e+01 1.056499092e+02 1.66 4.918648313e+01 8.382556894e+01 9.873955597e+01 1.68 4.534151405e+01 7.811630248e+01 9.225648791e+01 1.70 4.175389164e+01 7.276719767e+01 8.617245806e+01 1.72 3.840689248e+01 6.775332433e+01 8.046187777e+01 1.74 3.528464012e+01 6.305199733e+01 7.510131287e+01 1.76 3.237198618e+01 5.864255466e+01 7.006898200e+01 1.78 2.965459017e+01 5.450609914e+01 6.534440484e+01 1.80 2.711899294e+01 5.062521411e+01 6.090835870e+01 1.82 2.475253037e+01 4.698372381e+01 5.674278666e+01 1.84 2.254318906e+01 4.356638646e+01 5.283069221e+01 1.86 2.048052890e+01 4.035883138e+01 4.915591102e+01 1.88 1.855465241e+01 3.734757603e+01 4.570302794e+01 1.90 1.675566816e+01 3.452010673e+01 4.245745835e+01 1.92 1.507545034e+01 3.186485197e+01 3.940554433e+01 1.94 1.350720126e+01 2.937107620e+01 3.653472772e+01 1.96 1.204390371e+01 2.702873617e+01 3.383356325e+01 1.98 1.067921387e+01 2.482845267e+01 3.129162011e+01 2.00 9.407269716e+00 2.276154952e+01 2.889930450e+01 2.02 8.222512169e+00 2.082053954e+01 2.664767966e+01 2.04 7.119613579e+00 1.899901279e+01 2.452838169e+01 2.06 6.093430481e+00 1.729025816e+01 2.253357266e+01 2.08 5.139034201e+00 1.568783615e+01 2.065636103e+01 2.10 4.251771119e+00 1.418654073e+01 1.889082783e+01 2.12 3.427310030e+00 1.278068175e+01 1.723050514e+01 2.14 2.661649470e+00 1.146432371e+01 1.566940594e+01 2.16 1.951062102e+00 1.023181863e+01 1.420288926e+01 2.18 1.292064847e+00 9.077853746e+00 1.282581728e+01 2.20 6.813514932e-01 7.997479288e+00 1.153314379e+01 2.22 1.157781334e-01 6.986066674e+00 1.032016792e+01 2.24 -4.076449349e-01 6.039280879e+00 9.182449003e+00 2.26 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-5.168301447e+00 -3.581673566e+00 -2.676605603e+00 2.64 -5.244283299e+00 -3.799684000e+00 -2.966649754e+00 2.66 -5.309399061e+00 -4.000612822e+00 -3.235437334e+00 2.68 -5.364516298e+00 -4.185554520e+00 -3.484033436e+00 2.70 -5.410323914e+00 -4.355504117e+00 -3.713415348e+00 2.72 -5.447373897e+00 -4.511368782e+00 -3.924494151e+00 2.74 -5.476254210e+00 -4.653980165e+00 -4.118140332e+00 2.76 -5.497576596e+00 -4.784104738e+00 -4.295210578e+00 2.78 -5.511959923e+00 -4.902447110e+00 -4.456571609e+00 2.80 -5.520023441e+00 -5.009669389e+00 -4.603122387e+00 2.82 -5.522357489e+00 -5.106369811e+00 -4.735796218e+00 2.84 -5.519501115e+00 -5.193104736e+00 -4.855559175e+00 2.86 -5.511690059e+00 -5.270389586e+00 -4.963388962e+00 2.88 -5.499003894e+00 -5.338706288e+00 -5.060244824e+00 2.90 -5.481545175e+00 -5.398595136e+00 -5.147034607e+00 2.92 -5.459444360e+00 -5.450480427e+00 -5.224586961e+00 2.94 -5.432851171e+00 -5.494723229e+00 -5.293634271e+00 2.96 -5.401916497e+00 -5.531697155e+00 -5.354800113e+00 2.98 -5.366797803e+00 -5.561721240e+00 -5.408641538e+00 3.00 -5.327947581e+00 -5.585130099e+00 -5.455736651e+00 3.02 -5.285903630e+00 -5.602272622e+00 -5.496450524e+00 3.04 -5.240606259e+00 -5.613503634e+00 -5.531011122e+00 3.06 -5.192040176e+00 -5.619196288e+00 -5.559646859e+00 3.08 -5.140240225e+00 -5.619695900e+00 -5.582594582e+00 3.10 -5.085285334e+00 -5.615211441e+00 -5.600105327e+00 3.12 -5.027292902e+00 -5.605883601e+00 -5.612447434e+00 3.14 -4.966412846e+00 -5.591864333e+00 -5.619906519e+00 3.16 -4.902820543e+00 -5.573243129e+00 -5.622781945e+00 3.18 -4.836710012e+00 -5.550133699e+00 -5.621369255e+00 3.20 -4.768291266e+00 -5.522678480e+00 -5.615789942e+00 3.22 -4.697774329e+00 -5.491046517e+00 -5.606061376e+00 3.24 -4.625359230e+00 -5.455433330e+00 -5.592227621e+00 3.26 -4.551234514e+00 -5.416194271e+00 -5.574359025e+00 3.28 -4.475580523e+00 -5.374064079e+00 -5.552540696e+00 3.30 -4.398576721e+00 -5.329169113e+00 -5.526867079e+00 3.32 -4.320410912e+00 -5.281615197e+00 -5.497439481e+00 3.34 -4.241283922e+00 -5.231549592e+00 -5.464365363e+00 3.36 -4.161428906e+00 -5.179142365e+00 -5.427782237e+00 3.38 -4.081085722e+00 -5.124568708e+00 -5.388251110e+00 3.40 -4.000509488e+00 -5.067993394e+00 -5.345929549e+00 3.42 -3.919950094e+00 -5.009570333e+00 -5.300791481e+00 3.44 -3.839647103e+00 -4.949428557e+00 -5.252839209e+00 3.46 -3.759800338e+00 -4.887686030e+00 -5.202100769e+00 3.48 -3.680573377e+00 -4.824455412e+00 -5.148628198e+00 3.50 -3.602084609e+00 -4.759841246e+00 -5.092489714e+00 3.52 -3.524429378e+00 -4.693943496e+00 -5.033800107e+00 3.54 -3.447658471e+00 -4.626860519e+00 -4.972674796e+00 3.56 -3.371806853e+00 -4.558690444e+00 -4.909266536e+00 3.58 -3.296895646e+00 -4.489531280e+00 -4.843765474e+00 3.60 -3.222937970e+00 -4.419480196e+00 -4.776395840e+00 3.62 -3.149943029e+00 -4.348632439e+00 -4.707409815e+00 3.64 -3.077918722e+00 -4.277080249e+00 -4.637083484e+00 3.66 -3.006873148e+00 -4.204912087e+00 -4.565708639e+00 3.68 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-3.560479502e-01 -4.614499155e-01 5.46 -1.339318076e-01 -3.433195862e-01 -4.480164233e-01 5.48 -1.281505095e-01 -3.309948957e-01 -4.350212303e-01 5.50 -1.225974350e-01 -3.190777787e-01 -4.224409886e-01 5.52 -1.172534136e-01 -3.075723850e-01 -4.102539006e-01 5.54 -1.121023577e-01 -2.964821001e-01 -3.984348711e-01 5.56 -1.071314116e-01 -2.858086296e-01 -3.869749328e-01 5.58 -1.023309394e-01 -2.755512565e-01 -3.758506040e-01 5.60 -9.769436181e-02 -2.657063248e-01 -3.650449478e-01 5.62 -9.321784995e-02 -2.562669739e-01 -3.545418989e-01 5.64 -8.889989640e-02 -2.472231172e-01 -3.443261405e-01 5.66 -8.474078583e-02 -2.385616372e-01 -3.343829891e-01 5.68 -8.074199905e-02 -2.302667467e-01 -3.246982874e-01 5.70 -7.690558957e-02 -2.223204606e-01 -3.152583065e-01 5.72 -7.323357886e-02 -2.147031210e-01 -3.060496571e-01 5.74 -6.972741204e-02 -2.073939273e-01 -2.970592094e-01 5.76 -6.638750498e-02 -2.003714310e-01 -2.882740229e-01 5.78 -6.321291778e-02 -1.936139707e-01 -2.796812868e-01 5.80 -6.020115881e-02 -1.871000337e-01 -2.712682699e-01 5.82 -5.734812625e-02 -1.808085398e-01 -2.630222837e-01 5.84 -5.464817546e-02 -1.747190524e-01 -2.549306582e-01 5.86 -5.209427726e-02 -1.688119270e-01 -2.469807325e-01 5.88 -4.967824492e-02 -1.630684081e-01 -2.391598635e-01 5.90 -4.739081463e-02 -1.574706897e-01 -2.314554544e-01 5.92 -4.522231179e-02 -1.520019513e-01 -2.238550051e-01 5.94 -4.316288315e-02 -1.466463841e-01 -2.163461904e-01 5.96 -4.120253576e-02 -1.413892159e-01 -2.089169662e-01 5.98 -3.933138919e-02 -1.362167459e-01 -2.015557088e-01 6.00 -3.753988740e-02 -1.311163961e-01 -1.942513896e-01